Geometry & MOs

Info

ID:	296421
PubChem CID:	117573722
Reduced:	NC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	183.173548
ΔH_f, kcal/mol:	2.19
Dipole, Da:	3.43
IP(EA), eV:	-9.15(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(dimethylamino)propylamino]methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CNC1CCCC1)C#N

DOS

IR

Vibrations